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(2E)-2-Tosyl-1-phenyl-2,4-pentadien-1-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(2E)-2-Tosyl-1-phenyl-2,4-pentadien-1-one
SpectraBase Compound ID GVVAvlj52Of
InChI InChI=1S/C18H16O3S/c1-3-7-17(18(19)15-8-5-4-6-9-15)22(20,21)16-12-10-14(2)11-13-16/h3-13H,1H2,2H3/b17-7+
InChIKey AKNSBNXVCVKFDE-REZTVBANSA-N
Mol Weight 312.38 g/mol
Molecular Formula C18H16O3S
Exact Mass 312.082016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1MNKGYRWXva
Name (2E)-2-Tosyl-1-phenyl-2,4-pentadien-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.082015546 u
Formula C18H16O3S
InChI InChI=1S/C18H16O3S/c1-3-7-17(18(19)15-8-5-4-6-9-15)22(20,21)16-12-10-14(2)11-13-16/h3-13H,1H2,2H3/b17-7+
InChIKey AKNSBNXVCVKFDE-REZTVBANSA-N
Molecular Weight 312.383 g/mol
SMILES C(\C(S(C=1C=CC(=CC1)C)(=O)=O)=C/C=C)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848906